benzyl 4-(2-hydroxyethyl)-2-methoxypyrrolidine-1-carboxylate

C15H21NO4 — CID 10516793

IUPACbenzyl 4-(2-hydroxyethyl)-2-methoxypyrrolidine-1-carboxylate
SMILESCOC1CC(CCO)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO4/c1-19-14-9-13(7-8-17)10-16(14)15(18)20-11-12-5-3-2-4-6-12/h2-6,13-14,17H,7-11H2,1H3
InChIKeyBSHWBOQODWGFQY-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.00
Rot. Bonds5

About benzyl 4-(2-hydroxyethyl)-2-methoxypyrrolidine-1-carboxylate

benzyl 4-(2-hydroxyethyl)-2-methoxypyrrolidine-1-carboxylate (PubChem CID 10516793) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is benzyl 4-(2-hydroxyethyl)-2-methoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-hydroxyethyl)-2-methoxypyrrolidine-1-carboxylate
PubChem CID10516793
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namebenzyl 4-(2-hydroxyethyl)-2-methoxypyrrolidine-1-carboxylate
SMILESCOC1CC(CCO)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO4/c1-19-14-9-13(7-8-17)10-16(14)15(18)20-11-12-5-3-2-4-6-12/h2-6,13-14,17H,7-11H2,1H3
InChIKeyBSHWBOQODWGFQY-UHFFFAOYSA-N
XLogP2.00
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S,4S)-2-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66592753
(2S,4R)-1-phenylmethoxycarbonyl-4-propylpyrrolidine-2-carboxylic acid
CID 22802136
benzyl (2S,4S)-2-(hydroxymethyl)-4-(methoxymethyl)pyrrolidine-1-carboxylate
CID 58778890
benzyl (2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate;hydrochloride
CID 45072633
benzyl 3-amino-5-(hydroxymethyl)-2-phenylpiperidine-1-carboxylate
CID 54001762
benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate
CID 168975628
2-(5-methoxycarbonyl-1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid
CID 118995022
benzyl (2S)-2-(hydroxymethyl)-5-methoxypyrrolidine-1-carboxylate
CID 101130465
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
1-O-benzyl 2-O,4-O-dimethyl (2S)-pyrrolidine-1,2,4-tricarboxylate
CID 18391513
benzyl (2R,5S)-5-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 124523421
benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate
CID 130369185

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-hydroxyethyl)-2-methoxypyrrolidine-1-carboxylate?
The IUPAC name of benzyl 4-(2-hydroxyethyl)-2-methoxypyrrolidine-1-carboxylate (CID 10516793) is benzyl 4-(2-hydroxyethyl)-2-methoxypyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-hydroxyethyl)-2-methoxypyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-hydroxyethyl)-2-methoxypyrrolidine-1-carboxylate is COC1CC(CCO)CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-(2-hydroxyethyl)-2-methoxypyrrolidine-1-carboxylate?
The InChIKey is BSHWBOQODWGFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-19-14-9-13(7-8-17)10-16(14)15(18)20-11-12-5-3-2-4-6-12/h2-6,13-14,17H,7-11H2,1H3.
What are the key properties of benzyl 4-(2-hydroxyethyl)-2-methoxypyrrolidine-1-carboxylate?
benzyl 4-(2-hydroxyethyl)-2-methoxypyrrolidine-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-hydroxyethyl)-2-methoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 10516793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).